SCHEMBL7658338

SCHEMBL7658338

CC(C)[C@H](NC(=O)N(C)CCNC(=O)OC(C)(C)C)C(=O)N1C(c2ccccc2)SC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 15/20 0.46
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
ATM Q13315 1/20 0.41
CTRC Q99895 2/20 0.41
ACE P12821 1/20 0.38
ELANE P08246 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7662157 0.89 CMA1 (0.40) CMA1KMT2AMEN1ATMELANE
SCHEMBL7658536 0.89 CMA1 (0.52) CMA1KMT2AMEN1ATMCTRC
SCHEMBL7655928 0.86 TACR1 (0.43) ELANE
SCHEMBL7669800 0.86 TACR1 (0.39) CMA1ELANE
SCHEMBL5711243 0.85 CMA1 (0.50) CMA1KMT2AMEN1ATMCTRC
SCHEMBL7655683 0.81 CMA1 (0.43) CMA1ACEELANE
SCHEMBL7661080 0.80 CCR1 (0.46) CMA1ELANE
SCHEMBL7662744 0.80 KMT2A (0.43) CMA1KMT2ACTRC
SCHEMBL7661700 0.80 CMA1 (0.58) CMA1KMT2AMEN1ATMCTRC
SCHEMBL7663110 0.79 CAPN1 (0.39) CMA1ELANE

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6410576-B1 ANTIINFLAMMATORY AGENTS; CARDIOVASCULAR DISORDERS SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-06-25 US disclosed